AG00EKLD

64695-96-1 | 1-bromo-5-fluoro-2-methyl-4-nitrobenzene

AG00EKLD

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CAS Number	64695-96-1
Catalog Number	AG00EKLD(AGN-PC-09RO7I)
Chemical Name	1-bromo-5-fluoro-2-methyl-4-nitrobenzene
IUPAC Name	1-bromo-5-fluoro-2-methyl-4-nitrobenzene
InChI	InChI=1S/C7H5BrFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3
InChI Key	RYWJXYWJUJFEMD-UHFFFAOYSA-N
MDL Number	MFCD11847636
Molecular Formula	C7H5BrFNO2
Molecular Weight	234.0225
SMILES	BrC1=C(C=C(C(=C1)F)[N+](=O)[O-])C
Synonyms	64695-96-1, 1-BROMO-5-FLUORO-2-METHYL-4-NITROBENZENE, 2-Bromo-4-fluoro-5-nitrotoluene, 1-Bromo-5-fluoro-2-methyl-4-nitro-benzene, Benzene, 1-bromo-5-fluoro-2-methyl-4-nitro-, MFCD11847636, ACMC-209nns, SCHEMBL1770875, CTK8B2101, DTXSID20695159, RYWJXYWJUJFEMD-UHFFFAOYSA-N, ANW-34934, ZINC74937849, AKOS015999607, CM13930, FCH1406603, PC53113, KS-0000027K, AC-29715, AS-33269, BC600204, SC-33468, SY022910, AJ-121468, AX8231121, ST2403387, TC-123679, V7104, MFCD11847636 (95%), B-8357, C7H5BrFNO2, ACN-050751, 1-bromo-5-fluoro-2-methyl-4-nitrobenzene, 95% - 1G 1g,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.949g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	234.024g/mol
Monoisotopic Mass	232.949g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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